• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: MAR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [44, 22, 9, 18, 27, 12, 36, 74, 82, 37, 78, 83]
  Fragment all atoms: [44, 22, 77, 47, 9, 65, 66, 18, 27, 12, 71, 1, 48, 49, 50, 36, 74, 82, 37, 78, 83]
  

• C₆H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 145.15600000000003
  Fragment main chain atoms: [17, 8, 21, 45, 13, 32]
  Fragment all atoms: [17, 73, 34, 8, 63, 64, 21, 76, 46, 45, 13, 72, 2, 51, 52, 53, 32, 79, 47]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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